diethyl-[(4S)-4-[(2-oxidanylidene-2-phenylazanyl-ethyl)azaniumyl]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[(2-oxidanylidene-2-phenylazanyl-ethyl)azaniumyl]pentyl]azanium Openeye Name: [(4S)-4-[(2-anilino-2-oxo-ethyl)ammonio]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(2-anilino-2-oxoethyl)ammonio]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(2-anilino-2-oxoethyl)azaniumyl]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(2-anilino-2-keto-ethyl)ammonio]pentyl]-diethyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]CC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C17H29N3O/c1-4-20(5-2)13-9-10-15(3)18-14-17(21)19-16-11-7-6-8-12-16/h6-8,11-12,15,18H,4-5,9-10,13-14H2,1-3H3,(H,19,21)/p+2/t15-/m0/s1